Collisional Excitation of CF+ by H2: Potential Energy Surface and Rotational Cross Sections

被引:29
作者
Desrousseaux, Benjamin [1 ]
Quintas-Sanchez, Ernesto [2 ]
Dawes, Richard [2 ]
Lique, Francois [1 ]
机构
[1] Univ Havre, LOMC, UMR 6294, CNRS, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, France
[2] Missouri Univ Sci & Technol, Dept Chem, Rolla, MO 65409 USA
基金
美国国家科学基金会;
关键词
INTERSTELLAR; CHEMISTRY;
D O I
10.1021/acs.jpca.9b05538
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The CF+ molecule is considered one of the key species for the study of fluorine chemistry in the interstellar medium (ISM). Its recent detection, as well as its potential use as a tracer for atomic fluorine in the ISM, has increased the interest in the study of the physical and chemical properties of this cation. Accurate determination of the CF+ abundance in the ISM requires detailed modeling of its excitation from both radiation and collisions with the most dominant species, which are usually atomic and molecular hydrogen. Here, we report a new highly accurate potential energy surface (PES) describing the interaction between CF+ and the H-2 molecule. Exact quantum time-independent calculations of the rotational excitation cross sections for collisions of CF+ with both para- and ortho-H-2 are reported. Results obtained for collisions with para-H-2 are compared to previous calculations performed using an approximate PES averaged over H-2 rotation. Excitation data for collisions with ortho-H-2 are provided for the first time.
引用
收藏
页码:9637 / 9643
页数:7
相关论文
共 34 条
[21]   Widespread galactic CF+ absorption: detection toward W49 with the Plateau de Bure Interferometer [J].
Liszt, H. S. ;
Guzman, V. V. ;
Pety, J. ;
Gerin, M. ;
Neufeld, D. A. ;
Gratier, P. .
ASTRONOMY & ASTROPHYSICS, 2015, 579
[22]   HCO, c-C3H and CF+: three new molecules in diffuse, translucent and "spiral-arm" clouds [J].
Liszt, H. S. ;
Pety, J. ;
Gerin, M. ;
Lucas, R. .
ASTRONOMY & ASTROPHYSICS, 2014, 564
[23]  
Martin S, 2011, COMMONW J LOCAL GOV, P2
[24]   The HCO+-H2 van der Waals interaction: Potential energy and scattering [J].
Mass, H. ;
Wiesenfeld, L. .
JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (18)
[25]   Detection of extragalactic CF+ toward PKS 1830-211 Chemical differentiation in the absorbing gas [J].
Muller, S. ;
Kawaguchi, K. ;
Black, J. H. ;
Amano, T. .
ASTRONOMY & ASTROPHYSICS, 2016, 589
[26]   Discovery of interstellar CF+ [J].
Neufeld, D. A. ;
Schilke, P. ;
Menten, K. M. ;
Wolfire, M. G. ;
Black, J. H. ;
Schuller, F. ;
Mueller, H. S. P. ;
Thorwirth, S. ;
Guesten, R. ;
Philipp, S. .
ASTRONOMY & ASTROPHYSICS, 2006, 454 (02) :L37-L40
[27]   The chemistry of fluorine-bearing molecules in diffuse and dense interstellar gas clouds [J].
Neufeld, DA ;
Wolfire, MG ;
Schilke, P .
ASTROPHYSICAL JOURNAL, 2005, 628 (01) :260-274
[28]   THE CHEMISTRY OF INTERSTELLAR MOLECULES CONTAINING THE HALOGEN ELEMENTS [J].
Neufeld, David A. ;
Wolfire, Mark G. .
ASTROPHYSICAL JOURNAL, 2009, 706 (02) :1594-1604
[29]   AUTOSURF: A Freely Available Program To Construct Potential Energy Surfaces [J].
Quintas-Sanchez, Ernesto ;
Dawes, Richard .
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 59 (01) :262-271
[30]   Molecular Excitation in the Interstellar Medium: Recent Advances in Collisional, Radiative, and Chemical Processes [J].
Roueff, Evelyne ;
Lique, Francois .
CHEMICAL REVIEWS, 2013, 113 (12) :8906-8938